SCHEMBL3919696

SCHEMBL3919696

CCCC(OC(C)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MMP12 P39900 4/20 0.46
MMP1 P03956 3/20 0.46
MMP7 P09237 3/20 0.46
MMP13 P45452 3/20 0.46
ACE P12821 2/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.43
HSD11B1 P28845 1/20 0.40
PSIP1 O75475 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSB P07858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28023628 0.84 LMNA (0.46) LMNATSHRMMP12MMP1MMP7
SCHEMBL6683343 0.78 MMP2 (0.68) MMP12MMP1MMP7MMP13ACE
SCHEMBL11845901 0.77 LMNA (0.51) LMNATSHRHSD17B10MMP12MMP1
SCHEMBL27698103 0.76 TSHR (0.56) LMNATSHRHSD17B10SMN1; SMN2ATM
SCHEMBL3919984 0.75 MMP2 (0.42) LMNAHSD17B10MMP12MMP2MMP9
SCHEMBL3917298 0.74 SMN1; SMN2 (0.50) TSHRMMP12MMP1MMP7MMP13
SCHEMBL27948846 0.73 TSHR (0.47) LMNATSHRHSD17B10MMP12MMP1
SCHEMBL28820920 0.73 MMP1 (0.54) TSHRHSD17B10MMP12MMP1MMP7
SCHEMBL28721407 0.72 ATM (0.43) LMNATSHRHSD17B10MMP12MMP1
SCHEMBL27182979 0.72 MMP13 (0.57) MMP12MMP1MMP7MMP13ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC LMNA 4825/4885TSHR 2200/4885HSD17B10 794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.